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Title: Domain pinning near a single-grain boundary in tetragonal and rhombohedral lead zirconate titanate films

Abstract

The interaction of grain boundaries with ferroelectric domain walls strongly influences the extrinsic contribution to piezoelectric activity in Pb(Zr,Ti)O3 (PZT), ubiquitous in modern transducers and actuators. However, the fundamental understanding of these phenomena has been limited by complex mechanisms originating from the interplay of atomic-level domain wall pinning, collective domain wall dynamics, and emergent mesoscopic behavior. This contribution utilizes engineered grain boundaries created by depositing epitaxial PZT films with various Zr:Ti ratio onto 24º SrTiO3 tilt bicrystals. The nonlinear piezoelectric response and surface domain structure across the boundary are investigated using piezoresponse force microscopy whilst cross section domain structure is studied using transmission electron microscopy. The grain boundary reduces domain wall motion over a width of 800±70 nm for PZT 45:55 and 450±30 nm for PZT 52:48. Phase field modeling provides an understanding of the elastic and electric fields associated with the grain boundary and local domain configurations. In conclusion, this study demonstrates that complex mesoscopic behaviors can be explored to complement atomic-level pictures of the material system.

Authors:
 [1];  [2];  [1];  [3];  [3];  [3];  [1];  [2];  [2];  [1];  [1]
  1. Pennsylvania State Univ., University Park, PA (United States). Dept of Materials Science and Engineering and Materials Research Inst.
  2. Univ. of Sheffield (United Kingdom). Dept. of Materials Science and Engineering
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1286789
Alternate Identifier(s):
OSTI ID: 1178776
Grant/Contract Number:  
AC05-00OR22725; FG02-07ER46417; OCI-0821527; CNMS2011-022; EP/I038934/1; DMR-1005771
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 9; Journal Issue: 13; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; PbZr1−x,TixO3; PZT; grain boundaries; mesoscopic behavior

Citation Formats

Marincel, Dan M., Zhang, H. R., Briston, J., Belianinov, Alex, Jesse, Stephen, Kalinin, Sergei V., Chen, L. Q., Rainforth, William M., Reaney, Ian M., Randall, Clive A., and Trolier-McKinstry, Susan. Domain pinning near a single-grain boundary in tetragonal and rhombohedral lead zirconate titanate films. United States: N. p., 2015. Web. doi:10.1103/PhysRevB.91.134113.
Marincel, Dan M., Zhang, H. R., Briston, J., Belianinov, Alex, Jesse, Stephen, Kalinin, Sergei V., Chen, L. Q., Rainforth, William M., Reaney, Ian M., Randall, Clive A., & Trolier-McKinstry, Susan. Domain pinning near a single-grain boundary in tetragonal and rhombohedral lead zirconate titanate films. United States. https://doi.org/10.1103/PhysRevB.91.134113
Marincel, Dan M., Zhang, H. R., Briston, J., Belianinov, Alex, Jesse, Stephen, Kalinin, Sergei V., Chen, L. Q., Rainforth, William M., Reaney, Ian M., Randall, Clive A., and Trolier-McKinstry, Susan. 2015. "Domain pinning near a single-grain boundary in tetragonal and rhombohedral lead zirconate titanate films". United States. https://doi.org/10.1103/PhysRevB.91.134113. https://www.osti.gov/servlets/purl/1286789.
@article{osti_1286789,
title = {Domain pinning near a single-grain boundary in tetragonal and rhombohedral lead zirconate titanate films},
author = {Marincel, Dan M. and Zhang, H. R. and Briston, J. and Belianinov, Alex and Jesse, Stephen and Kalinin, Sergei V. and Chen, L. Q. and Rainforth, William M. and Reaney, Ian M. and Randall, Clive A. and Trolier-McKinstry, Susan},
abstractNote = {The interaction of grain boundaries with ferroelectric domain walls strongly influences the extrinsic contribution to piezoelectric activity in Pb(Zr,Ti)O3 (PZT), ubiquitous in modern transducers and actuators. However, the fundamental understanding of these phenomena has been limited by complex mechanisms originating from the interplay of atomic-level domain wall pinning, collective domain wall dynamics, and emergent mesoscopic behavior. This contribution utilizes engineered grain boundaries created by depositing epitaxial PZT films with various Zr:Ti ratio onto 24º SrTiO3 tilt bicrystals. The nonlinear piezoelectric response and surface domain structure across the boundary are investigated using piezoresponse force microscopy whilst cross section domain structure is studied using transmission electron microscopy. The grain boundary reduces domain wall motion over a width of 800±70 nm for PZT 45:55 and 450±30 nm for PZT 52:48. Phase field modeling provides an understanding of the elastic and electric fields associated with the grain boundary and local domain configurations. In conclusion, this study demonstrates that complex mesoscopic behaviors can be explored to complement atomic-level pictures of the material system.},
doi = {10.1103/PhysRevB.91.134113},
url = {https://www.osti.gov/biblio/1286789}, journal = {Physical Review. B, Condensed Matter and Materials Physics},
issn = {1098-0121},
number = 13,
volume = 9,
place = {United States},
year = {Mon Apr 27 00:00:00 EDT 2015},
month = {Mon Apr 27 00:00:00 EDT 2015}
}

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Cited by: 28 works
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Works referenced in this record:

Grain size and domain size relations in bulk ceramic ferroelectric materials
journal, October 1996


Ferroelectric thin films: Review of materials, properties, and applications
journal, September 2006


Dielectric properties of fine‐grained barium titanate ceramics
journal, August 1985


Intrinsic and Extrinsic Size Effects in Fine-Grained Morphotropic-Phase-Boundary Lead Zirconate Titanate Ceramics
journal, March 1998


A high energy synchrotron x-ray study of crystallographic texture and lattice strain in soft lead zirconate titanate ceramics
journal, October 2004


Extrinsic scaling effects on the dielectric response of ferroelectric thin films
journal, April 2008


Grain size dependence of properties in lead nickel niobate-lead zirconate titanate films
journal, January 2010


Phase-field simulation of polarization switching and domain evolution in ferroelectric polycrystals
journal, December 2005


Virtual piezoforce microscopy of polycrystalline ferroelectric films
journal, September 2006


First-principles study of the interplay between grain boundaries and domain walls in ferroelectric PbTiO 3
journal, February 2011


Atomic-scale mechanisms of ferroelastic domain-wall-mediated ferroelectric switching
journal, November 2013


Ab initio study of ferroelectric domain walls in PbTiO 3
journal, March 2002


Domain Wall Creep in Epitaxial Ferroelectric P b ( Z r 0.2 T i 0.8 ) O 3 Thin Films
journal, August 2002


Nanoscale studies of domain wall motion in epitaxial ferroelectric thin films
journal, September 2006


Thermal quench effects on ferroelectric domain walls
journal, June 2012


High Speed SPM Applied for Direct Nanoscale Mapping of the Influence of Defects on Ferroelectric Switching Dynamics
journal, March 2012


Tip traveling and grain boundary effects in domain formation using piezoelectric force microscopy for probe storage applications
journal, October 2006


Ferroelectric domain wall pinning at a bicrystal grain boundary in bismuth ferrite
journal, October 2008


Watching domains grow: In-situ studies of polarization switching by combined scanning probe and scanning transmission electron microscopy
journal, September 2011


Domains Beyond the Grain Boundary
journal, March 2011


Influence of a Single Grain Boundary on Domain Wall Motion in Ferroelectrics
journal, October 2013


Subcoercive Cyclic Electrical Loading of Lead Zirconate Titanate Ceramics II: Time-Resolved X-Ray Diffraction
journal, October 2009


Subcoercive Cyclic Electrical Loading of Lead Zirconate Titanate Ceramics I: Nonlinearities and Losses in the Converse Piezoelectric Effect
journal, October 2009


Contributions to the Piezoelectric Effect in Ferroelectric Single Crystals and Ceramics
journal, October 2005


The Rayleigh law in piezoelectric ceramics
journal, July 1996


Phase-Field Method of Phase Transitions/Domain Structures in Ferroelectric Thin Films: A Review
journal, June 2008


Applications of semi-implicit Fourier-spectral method to phase field equations
journal, February 1998


Effect of electrical boundary conditions on ferroelectric domain structures in thin films
journal, July 2002


An iterative-perturbation scheme for treating inhomogeneous elasticity in phase-field models
journal, September 2005


Inherent nanoscale structural instabilities near morphotropic boundaries in ferroelectric solid solutions
journal, August 2007


Origin of 90° domain wall pinning in Pb(Zr 0.2 Ti 0.8 )O 3 heteroepitaxial thin films
journal, September 2011


Optical Properties of PZT, PLZT, and PNZT Thin Films
journal, January 1991


Semiconducting barium titanate
journal, September 1971


Piezoelectric nonlinearity due to motion of 180° domain walls in ferroelectric materials at subcoercive fields: A dynamic poling model
journal, May 2006


Higher order harmonic detection for exploring nonlinear interactions with nanoscale resolution
journal, September 2013


Domain wall contributions to the properties of piezoelectric thin films
journal, March 2007


Collective dynamics underpins Rayleigh behavior in disordered polycrystalline ferroelectrics
journal, April 2010


Three-dimensional phase-field simulation of domain structures in ferroelectric islands
journal, March 2008


Theory of ferroelectrics
journal, April 1954


Enhanced electric conductivity at ferroelectric vortex cores in BiFeO3
journal, November 2011


Phase-field simulation of domain structures in epitaxial BiFeO 3 films on vicinal substrates
journal, August 2011


Ferroelastic domain switching dynamics under electrical and mechanical excitations
journal, May 2014


Three-Dimensional Computer Simulation of Ferroelectric Domain Formation
journal, March 1998


Mesoscopic mechanism of the domain wall interaction with elastic defects in uniaxial ferroelectrics
journal, May 2013


Dependence of electrical properties of epitaxial Pb(Zr,Ti)O3 thick films on crystal orientation and Zr∕(Zr+Ti) ratio
journal, November 2005


Works referencing / citing this record:

Dynamical Magnetic Field Accompanying the Motion of Ferroelectric Domain Walls
journal, September 2019


Scaling Effects in Perovskite Ferroelectrics: Fundamental Limits and Process-Structure-Property Relations
journal, July 2016


Lead-reduced Bi(Ni 2/3 Ta 1/3 )O 3 -PbTiO 3 perovskite ceramics with high Curie temperature and performance
journal, August 2018


Big data and deep data in scanning and electron microscopies: deriving functionality from multidimensional data sets
journal, May 2015


Dynamical Magnetic Field Accompanying the Motion of Ferroelectric Domain Walls
text, January 2019


A dynamical magnetic field accompanying the motion of ferroelectric domain walls
text, January 2019